USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0.089 K(o=0.089,f=-2.9!) USER MOD Single : A 1 ASN N :NH3+ 173:sc= 0.107 (180deg=0.0936) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot -22:sc= 0.0446 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 103:sc= 0.28 USER MOD Single : A 35 SER OG : rot -35:sc= 0.00502 USER MOD Single : A 36 LYS NZ :NH3+ 131:sc= 0.227 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.166 K(o=-0.17,f=-4.3!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.3) USER MOD Single : A 61 SER OG : rot -121:sc= 0.175 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0808) USER MOD Single : A 68 GLN : amide:sc= 0.0719 K(o=0.072,f=-3.4!) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 0.35 (180deg=0.312) USER MOD Single : A 75 HIS : no HD1:sc= -0.273 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 14.301 46.492 33.424 1.00 20.00 N ATOM 2 CA ASN A 1 14.935 45.420 32.633 1.00 20.00 C ATOM 3 C ASN A 1 15.539 44.371 33.559 1.00 20.00 C ATOM 4 O ASN A 1 16.652 44.532 34.053 1.00 20.00 O ATOM 5 CB ASN A 1 15.982 45.975 31.649 1.00 20.00 C ATOM 6 CG ASN A 1 15.375 46.760 30.487 1.00 20.00 C ATOM 7 OD1 ASN A 1 14.276 47.297 30.581 1.00 20.00 O ATOM 8 ND2 ASN A 1 16.094 46.831 29.368 1.00 20.00 N ATOM 0 H1 ASN A 1 13.998 47.258 32.790 1.00 20.00 H new ATOM 0 H2 ASN A 1 13.474 46.110 33.926 1.00 20.00 H new ATOM 0 H3 ASN A 1 14.984 46.864 34.115 1.00 20.00 H new ATOM 0 HA ASN A 1 14.162 44.944 32.030 1.00 20.00 H new ATOM 0 HB2 ASN A 1 16.672 46.621 32.192 1.00 20.00 H new ATOM 0 HB3 ASN A 1 16.568 45.147 31.250 1.00 20.00 H new ATOM 0 HD21 ASN A 1 15.734 47.341 28.562 1.00 20.00 H new ATOM 0 HD22 ASN A 1 17.005 46.375 29.317 1.00 20.00 H new ATOM 17 N GLU A 2 14.780 43.291 33.774 1.00 20.00 N ATOM 18 CA GLU A 2 15.139 42.152 34.617 1.00 20.00 C ATOM 19 C GLU A 2 16.365 41.405 34.069 1.00 20.00 C ATOM 20 O GLU A 2 17.221 40.983 34.845 1.00 20.00 O ATOM 21 CB GLU A 2 13.910 41.234 34.697 1.00 20.00 C ATOM 22 CG GLU A 2 14.015 40.147 35.771 1.00 20.00 C ATOM 23 CD GLU A 2 13.722 40.679 37.174 1.00 20.00 C ATOM 24 OE1 GLU A 2 12.613 40.384 37.675 1.00 20.00 O ATOM 25 OE2 GLU A 2 14.598 41.375 37.732 1.00 20.00 O ATOM 0 H GLU A 2 13.860 43.185 33.346 1.00 20.00 H new ATOM 0 HA GLU A 2 15.419 42.496 35.613 1.00 20.00 H new ATOM 0 HB2 GLU A 2 13.027 41.842 34.895 1.00 20.00 H new ATOM 0 HB3 GLU A 2 13.760 40.759 33.727 1.00 20.00 H new ATOM 0 HG2 GLU A 2 13.318 39.342 35.538 1.00 20.00 H new ATOM 0 HG3 GLU A 2 15.016 39.717 35.751 1.00 20.00 H new ATOM 32 N CYS A 3 16.466 41.288 32.737 1.00 20.00 N ATOM 33 CA CYS A 3 17.598 40.701 32.024 1.00 20.00 C ATOM 34 C CYS A 3 18.902 41.437 32.349 1.00 20.00 C ATOM 35 O CYS A 3 19.865 40.809 32.789 1.00 20.00 O ATOM 36 CB CYS A 3 17.307 40.742 30.519 1.00 20.00 C ATOM 37 SG CYS A 3 15.900 39.708 30.046 1.00 20.00 S ATOM 0 H CYS A 3 15.732 41.613 32.108 1.00 20.00 H new ATOM 0 HA CYS A 3 17.727 39.667 32.344 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.112 41.772 30.220 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.192 40.414 29.974 1.00 20.00 H new ATOM 42 N VAL A 4 18.917 42.763 32.147 1.00 20.00 N ATOM 43 CA VAL A 4 20.078 43.631 32.343 1.00 20.00 C ATOM 44 C VAL A 4 20.456 43.721 33.831 1.00 20.00 C ATOM 45 O VAL A 4 21.643 43.778 34.153 1.00 20.00 O ATOM 46 CB VAL A 4 19.792 45.026 31.737 1.00 20.00 C ATOM 47 CG1 VAL A 4 21.006 45.964 31.864 1.00 20.00 C ATOM 48 CG2 VAL A 4 19.428 44.926 30.242 1.00 20.00 C ATOM 0 H VAL A 4 18.092 43.273 31.832 1.00 20.00 H new ATOM 0 HA VAL A 4 20.936 43.202 31.825 1.00 20.00 H new ATOM 0 HB VAL A 4 18.953 45.432 32.301 1.00 20.00 H new ATOM 0 HG11 VAL A 4 20.765 46.933 31.427 1.00 20.00 H new ATOM 0 HG12 VAL A 4 21.257 46.093 32.917 1.00 20.00 H new ATOM 0 HG13 VAL A 4 21.857 45.531 31.338 1.00 20.00 H new ATOM 0 HG21 VAL A 4 19.233 45.923 29.847 1.00 20.00 H new ATOM 0 HG22 VAL A 4 20.256 44.475 29.695 1.00 20.00 H new ATOM 0 HG23 VAL A 4 18.537 44.309 30.125 1.00 20.00 H new ATOM 58 N SER A 5 19.462 43.685 34.733 1.00 20.00 N ATOM 59 CA SER A 5 19.643 43.673 36.182 1.00 20.00 C ATOM 60 C SER A 5 20.401 42.422 36.646 1.00 20.00 C ATOM 61 O SER A 5 21.294 42.530 37.485 1.00 20.00 O ATOM 62 CB SER A 5 18.267 43.764 36.852 1.00 20.00 C ATOM 63 OG SER A 5 18.388 43.860 38.256 1.00 20.00 O ATOM 0 H SER A 5 18.480 43.663 34.458 1.00 20.00 H new ATOM 0 HA SER A 5 20.249 44.531 36.472 1.00 20.00 H new ATOM 0 HB2 SER A 5 17.730 44.633 36.470 1.00 20.00 H new ATOM 0 HB3 SER A 5 17.675 42.885 36.595 1.00 20.00 H new ATOM 0 HG SER A 5 17.496 43.918 38.658 1.00 20.00 H new ATOM 69 N LYS A 6 20.085 41.250 36.076 1.00 20.00 N ATOM 70 CA LYS A 6 20.779 39.986 36.333 1.00 20.00 C ATOM 71 C LYS A 6 22.143 39.893 35.625 1.00 20.00 C ATOM 72 O LYS A 6 22.939 39.023 35.976 1.00 20.00 O ATOM 73 CB LYS A 6 19.875 38.818 35.902 1.00 20.00 C ATOM 74 CG LYS A 6 18.658 38.604 36.825 1.00 20.00 C ATOM 75 CD LYS A 6 19.020 37.960 38.174 1.00 20.00 C ATOM 76 CE LYS A 6 19.409 36.484 38.003 1.00 20.00 C ATOM 77 NZ LYS A 6 19.770 35.867 39.292 1.00 20.00 N ATOM 0 H LYS A 6 19.320 41.156 35.407 1.00 20.00 H new ATOM 0 HA LYS A 6 20.984 39.935 37.402 1.00 20.00 H new ATOM 0 HB2 LYS A 6 19.523 38.998 34.886 1.00 20.00 H new ATOM 0 HB3 LYS A 6 20.466 37.903 35.876 1.00 20.00 H new ATOM 0 HG2 LYS A 6 18.176 39.565 37.007 1.00 20.00 H new ATOM 0 HG3 LYS A 6 17.930 37.974 36.314 1.00 20.00 H new ATOM 0 HD2 LYS A 6 19.847 38.505 38.629 1.00 20.00 H new ATOM 0 HD3 LYS A 6 18.173 38.038 38.855 1.00 20.00 H new ATOM 0 HE2 LYS A 6 18.578 35.937 37.557 1.00 20.00 H new ATOM 0 HE3 LYS A 6 20.249 36.406 37.313 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 20.027 34.871 39.140 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 20.578 36.374 39.705 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 18.959 35.920 39.941 1.00 20.00 H new ATOM 91 N GLY A 7 22.421 40.784 34.661 1.00 20.00 N ATOM 92 CA GLY A 7 23.684 40.892 33.937 1.00 20.00 C ATOM 93 C GLY A 7 23.650 40.273 32.534 1.00 20.00 C ATOM 94 O GLY A 7 24.649 40.352 31.823 1.00 20.00 O ATOM 0 H GLY A 7 21.737 41.477 34.356 1.00 20.00 H new ATOM 0 HA2 GLY A 7 23.955 41.945 33.853 1.00 20.00 H new ATOM 0 HA3 GLY A 7 24.468 40.407 34.519 1.00 20.00 H new ATOM 98 N PHE A 8 22.519 39.674 32.133 1.00 20.00 N ATOM 99 CA PHE A 8 22.281 39.120 30.802 1.00 20.00 C ATOM 100 C PHE A 8 21.991 40.222 29.771 1.00 20.00 C ATOM 101 O PHE A 8 21.912 41.406 30.106 1.00 20.00 O ATOM 102 CB PHE A 8 21.106 38.131 30.878 1.00 20.00 C ATOM 103 CG PHE A 8 21.245 37.069 31.953 1.00 20.00 C ATOM 104 CD1 PHE A 8 22.359 36.207 31.961 1.00 20.00 C ATOM 105 CD2 PHE A 8 20.265 36.947 32.955 1.00 20.00 C ATOM 106 CE1 PHE A 8 22.499 35.240 32.973 1.00 20.00 C ATOM 107 CE2 PHE A 8 20.402 35.976 33.962 1.00 20.00 C ATOM 108 CZ PHE A 8 21.521 35.126 33.977 1.00 20.00 C ATOM 0 H PHE A 8 21.718 39.560 32.754 1.00 20.00 H new ATOM 0 HA PHE A 8 23.182 38.603 30.472 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.188 38.691 31.055 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.999 37.639 29.911 1.00 20.00 H new ATOM 0 HD1 PHE A 8 23.108 36.289 31.187 1.00 20.00 H new ATOM 0 HD2 PHE A 8 19.405 37.601 32.950 1.00 20.00 H new ATOM 0 HE1 PHE A 8 23.358 34.585 32.979 1.00 20.00 H new ATOM 0 HE2 PHE A 8 19.645 35.883 34.727 1.00 20.00 H new ATOM 0 HZ PHE A 8 21.630 34.387 34.757 1.00 20.00 H new ATOM 118 N GLY A 9 21.822 39.812 28.507 1.00 20.00 N ATOM 119 CA GLY A 9 21.530 40.687 27.379 1.00 20.00 C ATOM 120 C GLY A 9 20.117 40.467 26.834 1.00 20.00 C ATOM 121 O GLY A 9 19.386 39.573 27.268 1.00 20.00 O ATOM 0 H GLY A 9 21.888 38.830 28.240 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.642 41.726 27.688 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.256 40.510 26.586 1.00 20.00 H new ATOM 125 N CYS A 10 19.761 41.294 25.843 1.00 20.00 N ATOM 126 CA CYS A 10 18.534 41.178 25.063 1.00 20.00 C ATOM 127 C CYS A 10 18.901 41.111 23.577 1.00 20.00 C ATOM 128 O CYS A 10 18.787 42.090 22.839 1.00 20.00 O ATOM 129 CB CYS A 10 17.564 42.327 25.373 1.00 20.00 C ATOM 130 SG CYS A 10 16.946 42.459 27.068 1.00 20.00 S ATOM 0 H CYS A 10 20.340 42.084 25.558 1.00 20.00 H new ATOM 0 HA CYS A 10 18.010 40.262 25.335 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.060 43.264 25.121 1.00 20.00 H new ATOM 0 HB3 CYS A 10 16.706 42.232 24.708 1.00 20.00 H new ATOM 135 N LEU A 11 19.382 39.941 23.143 1.00 20.00 N ATOM 136 CA LEU A 11 19.714 39.652 21.749 1.00 20.00 C ATOM 137 C LEU A 11 18.423 39.378 20.959 1.00 20.00 C ATOM 138 O LEU A 11 17.433 38.955 21.557 1.00 20.00 O ATOM 139 CB LEU A 11 20.658 38.431 21.697 1.00 20.00 C ATOM 140 CG LEU A 11 22.151 38.720 21.970 1.00 20.00 C ATOM 141 CD1 LEU A 11 22.787 39.544 20.841 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.420 39.404 23.319 1.00 20.00 C ATOM 0 H LEU A 11 19.554 39.153 23.767 1.00 20.00 H new ATOM 0 HA LEU A 11 20.219 40.507 21.299 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.311 37.697 22.424 1.00 20.00 H new ATOM 0 HB3 LEU A 11 20.571 37.971 20.713 1.00 20.00 H new ATOM 0 HG LEU A 11 22.618 37.736 22.012 1.00 20.00 H new ATOM 0 HD11 LEU A 11 23.837 39.726 21.070 1.00 20.00 H new ATOM 0 HD12 LEU A 11 22.711 38.995 19.902 1.00 20.00 H new ATOM 0 HD13 LEU A 11 22.266 40.497 20.748 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.491 39.572 23.435 1.00 20.00 H new ATOM 0 HD22 LEU A 11 21.897 40.360 23.353 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.064 38.766 24.128 1.00 20.00 H new ATOM 154 N PRO A 12 18.412 39.566 19.623 1.00 20.00 N ATOM 155 CA PRO A 12 17.245 39.266 18.798 1.00 20.00 C ATOM 156 C PRO A 12 16.989 37.758 18.722 1.00 20.00 C ATOM 157 O PRO A 12 17.887 36.955 18.971 1.00 20.00 O ATOM 158 CB PRO A 12 17.553 39.878 17.426 1.00 20.00 C ATOM 159 CG PRO A 12 19.075 39.815 17.348 1.00 20.00 C ATOM 160 CD PRO A 12 19.504 40.059 18.794 1.00 20.00 C ATOM 0 HA PRO A 12 16.329 39.684 19.215 1.00 20.00 H new ATOM 0 HB2 PRO A 12 17.085 39.314 16.619 1.00 20.00 H new ATOM 0 HB3 PRO A 12 17.188 40.902 17.351 1.00 20.00 H new ATOM 0 HG2 PRO A 12 19.421 38.848 16.982 1.00 20.00 H new ATOM 0 HG3 PRO A 12 19.476 40.572 16.675 1.00 20.00 H new ATOM 0 HD2 PRO A 12 20.433 39.535 19.020 1.00 20.00 H new ATOM 0 HD3 PRO A 12 19.684 41.119 18.975 1.00 20.00 H new ATOM 168 N GLN A 13 15.758 37.378 18.360 1.00 20.00 N ATOM 169 CA GLN A 13 15.330 35.983 18.257 1.00 20.00 C ATOM 170 C GLN A 13 16.077 35.212 17.154 1.00 20.00 C ATOM 171 O GLN A 13 16.151 33.988 17.227 1.00 20.00 O ATOM 172 CB GLN A 13 13.811 35.939 18.020 1.00 20.00 C ATOM 173 CG GLN A 13 13.036 36.364 19.277 1.00 20.00 C ATOM 174 CD GLN A 13 11.528 36.412 19.040 1.00 20.00 C ATOM 175 OE1 GLN A 13 10.868 35.377 19.008 1.00 20.00 O ATOM 176 NE2 GLN A 13 10.975 37.615 18.896 1.00 20.00 N ATOM 0 H GLN A 13 15.021 38.044 18.127 1.00 20.00 H new ATOM 0 HA GLN A 13 15.576 35.486 19.195 1.00 20.00 H new ATOM 0 HB2 GLN A 13 13.551 36.597 17.191 1.00 20.00 H new ATOM 0 HB3 GLN A 13 13.515 34.930 17.732 1.00 20.00 H new ATOM 0 HG2 GLN A 13 13.252 35.668 20.087 1.00 20.00 H new ATOM 0 HG3 GLN A 13 13.382 37.346 19.600 1.00 20.00 H new ATOM 0 HE21 GLN A 13 11.558 38.451 18.929 1.00 20.00 H new ATOM 0 HE22 GLN A 13 9.969 37.700 18.753 1.00 20.00 H new ATOM 185 N SER A 14 16.668 35.906 16.169 1.00 20.00 N ATOM 186 CA SER A 14 17.529 35.309 15.152 1.00 20.00 C ATOM 187 C SER A 14 18.844 34.805 15.773 1.00 20.00 C ATOM 188 O SER A 14 19.175 33.627 15.635 1.00 20.00 O ATOM 189 CB SER A 14 17.792 36.336 14.046 1.00 20.00 C ATOM 190 OG SER A 14 18.449 35.727 12.955 1.00 20.00 O ATOM 0 H SER A 14 16.555 36.914 16.060 1.00 20.00 H new ATOM 0 HA SER A 14 17.027 34.445 14.717 1.00 20.00 H new ATOM 0 HB2 SER A 14 16.850 36.772 13.714 1.00 20.00 H new ATOM 0 HB3 SER A 14 18.401 37.152 14.436 1.00 20.00 H new ATOM 0 HG SER A 14 18.609 36.394 12.255 1.00 20.00 H new ATOM 196 N ASP A 15 19.583 35.689 16.462 1.00 20.00 N ATOM 197 CA ASP A 15 20.883 35.387 17.073 1.00 20.00 C ATOM 198 C ASP A 15 20.739 34.467 18.291 1.00 20.00 C ATOM 199 O ASP A 15 21.400 33.433 18.327 1.00 20.00 O ATOM 200 CB ASP A 15 21.597 36.684 17.484 1.00 20.00 C ATOM 201 CG ASP A 15 22.138 37.446 16.272 1.00 20.00 C ATOM 202 OD1 ASP A 15 21.308 37.965 15.494 1.00 20.00 O ATOM 203 OD2 ASP A 15 23.377 37.519 16.134 1.00 20.00 O ATOM 0 H ASP A 15 19.285 36.653 16.612 1.00 20.00 H new ATOM 0 HA ASP A 15 21.480 34.866 16.325 1.00 20.00 H new ATOM 0 HB2 ASP A 15 20.904 37.321 18.034 1.00 20.00 H new ATOM 0 HB3 ASP A 15 22.418 36.448 18.161 1.00 20.00 H new ATOM 208 N CYS A 16 19.918 34.842 19.285 1.00 20.00 N ATOM 209 CA CYS A 16 19.722 34.090 20.518 1.00 20.00 C ATOM 210 C CYS A 16 19.127 32.701 20.225 1.00 20.00 C ATOM 211 O CYS A 16 17.992 32.637 19.745 1.00 20.00 O ATOM 212 CB CYS A 16 18.803 34.863 21.473 1.00 20.00 C ATOM 213 SG CYS A 16 18.695 34.091 23.114 1.00 20.00 S ATOM 0 H CYS A 16 19.363 35.697 19.245 1.00 20.00 H new ATOM 0 HA CYS A 16 20.695 33.956 20.991 1.00 20.00 H new ATOM 0 HB2 CYS A 16 19.171 35.884 21.579 1.00 20.00 H new ATOM 0 HB3 CYS A 16 17.805 34.927 21.039 1.00 20.00 H new ATOM 218 N PRO A 17 19.844 31.592 20.510 1.00 20.00 N ATOM 219 CA PRO A 17 19.317 30.243 20.332 1.00 20.00 C ATOM 220 C PRO A 17 18.207 29.958 21.353 1.00 20.00 C ATOM 221 O PRO A 17 18.141 30.601 22.400 1.00 20.00 O ATOM 222 CB PRO A 17 20.527 29.324 20.488 1.00 20.00 C ATOM 223 CG PRO A 17 21.421 30.076 21.469 1.00 20.00 C ATOM 224 CD PRO A 17 21.178 31.538 21.097 1.00 20.00 C ATOM 0 HA PRO A 17 18.847 30.093 19.360 1.00 20.00 H new ATOM 0 HB2 PRO A 17 20.241 28.346 20.874 1.00 20.00 H new ATOM 0 HB3 PRO A 17 21.029 29.156 19.535 1.00 20.00 H new ATOM 0 HG2 PRO A 17 21.147 29.871 22.504 1.00 20.00 H new ATOM 0 HG3 PRO A 17 22.469 29.799 21.355 1.00 20.00 H new ATOM 0 HD2 PRO A 17 21.243 32.179 21.976 1.00 20.00 H new ATOM 0 HD3 PRO A 17 21.929 31.890 20.390 1.00 20.00 H new ATOM 232 N GLN A 18 17.319 29.010 21.036 1.00 20.00 N ATOM 233 CA GLN A 18 16.049 28.814 21.740 1.00 20.00 C ATOM 234 C GLN A 18 16.226 28.200 23.135 1.00 20.00 C ATOM 235 O GLN A 18 15.333 28.308 23.971 1.00 20.00 O ATOM 236 CB GLN A 18 15.100 27.968 20.873 1.00 20.00 C ATOM 237 CG GLN A 18 14.743 28.677 19.552 1.00 20.00 C ATOM 238 CD GLN A 18 13.519 28.068 18.871 1.00 20.00 C ATOM 239 OE1 GLN A 18 12.391 28.329 19.278 1.00 20.00 O ATOM 240 NE2 GLN A 18 13.720 27.267 17.827 1.00 20.00 N ATOM 0 H GLN A 18 17.465 28.349 20.273 1.00 20.00 H new ATOM 0 HA GLN A 18 15.609 29.798 21.902 1.00 20.00 H new ATOM 0 HB2 GLN A 18 15.567 27.008 20.655 1.00 20.00 H new ATOM 0 HB3 GLN A 18 14.187 27.759 21.431 1.00 20.00 H new ATOM 0 HG2 GLN A 18 14.557 29.733 19.749 1.00 20.00 H new ATOM 0 HG3 GLN A 18 15.595 28.625 18.874 1.00 20.00 H new ATOM 0 HE21 GLN A 18 14.670 27.069 17.512 1.00 20.00 H new ATOM 0 HE22 GLN A 18 12.924 26.852 17.342 1.00 20.00 H new ATOM 249 N GLU A 19 17.396 27.613 23.389 1.00 20.00 N ATOM 250 CA GLU A 19 17.879 27.076 24.650 1.00 20.00 C ATOM 251 C GLU A 19 18.245 28.186 25.644 1.00 20.00 C ATOM 252 O GLU A 19 17.932 28.060 26.824 1.00 20.00 O ATOM 253 CB GLU A 19 19.100 26.175 24.384 1.00 20.00 C ATOM 254 CG GLU A 19 20.111 26.736 23.368 1.00 20.00 C ATOM 255 CD GLU A 19 21.353 25.854 23.279 1.00 20.00 C ATOM 256 OE1 GLU A 19 21.311 24.871 22.508 1.00 20.00 O ATOM 257 OE2 GLU A 19 22.341 26.173 23.977 1.00 20.00 O ATOM 0 H GLU A 19 18.087 27.494 22.648 1.00 20.00 H new ATOM 0 HA GLU A 19 17.076 26.492 25.101 1.00 20.00 H new ATOM 0 HB2 GLU A 19 19.616 25.999 25.328 1.00 20.00 H new ATOM 0 HB3 GLU A 19 18.748 25.207 24.028 1.00 20.00 H new ATOM 0 HG2 GLU A 19 19.642 26.808 22.387 1.00 20.00 H new ATOM 0 HG3 GLU A 19 20.399 27.746 23.658 1.00 20.00 H new ATOM 264 N ALA A 20 18.885 29.267 25.179 1.00 20.00 N ATOM 265 CA ALA A 20 19.386 30.362 26.002 1.00 20.00 C ATOM 266 C ALA A 20 18.291 31.365 26.395 1.00 20.00 C ATOM 267 O ALA A 20 18.540 32.205 27.257 1.00 20.00 O ATOM 268 CB ALA A 20 20.518 31.065 25.244 1.00 20.00 C ATOM 0 H ALA A 20 19.072 29.402 24.185 1.00 20.00 H new ATOM 0 HA ALA A 20 19.756 29.942 26.937 1.00 20.00 H new ATOM 0 HB1 ALA A 20 20.904 31.887 25.847 1.00 20.00 H new ATOM 0 HB2 ALA A 20 21.320 30.354 25.045 1.00 20.00 H new ATOM 0 HB3 ALA A 20 20.137 31.455 24.300 1.00 20.00 H new ATOM 274 N ARG A 21 17.093 31.278 25.796 1.00 20.00 N ATOM 275 CA ARG A 21 15.970 32.175 26.069 1.00 20.00 C ATOM 276 C ARG A 21 15.456 31.983 27.501 1.00 20.00 C ATOM 277 O ARG A 21 15.011 30.891 27.864 1.00 20.00 O ATOM 278 CB ARG A 21 14.844 31.950 25.054 1.00 20.00 C ATOM 279 CG ARG A 21 15.274 32.351 23.638 1.00 20.00 C ATOM 280 CD ARG A 21 14.152 32.091 22.637 1.00 20.00 C ATOM 281 NE ARG A 21 14.612 32.311 21.261 1.00 20.00 N ATOM 282 CZ ARG A 21 13.823 32.353 20.177 1.00 20.00 C ATOM 283 NH1 ARG A 21 12.495 32.272 20.272 1.00 20.00 N ATOM 284 NH2 ARG A 21 14.368 32.465 18.968 1.00 20.00 N ATOM 0 H ARG A 21 16.879 30.568 25.096 1.00 20.00 H new ATOM 0 HA ARG A 21 16.321 33.202 25.970 1.00 20.00 H new ATOM 0 HB2 ARG A 21 14.550 30.900 25.062 1.00 20.00 H new ATOM 0 HB3 ARG A 21 13.968 32.529 25.347 1.00 20.00 H new ATOM 0 HG2 ARG A 21 15.545 33.407 23.621 1.00 20.00 H new ATOM 0 HG3 ARG A 21 16.162 31.789 23.350 1.00 20.00 H new ATOM 0 HD2 ARG A 21 13.794 31.067 22.745 1.00 20.00 H new ATOM 0 HD3 ARG A 21 13.309 32.748 22.852 1.00 20.00 H new ATOM 0 HE ARG A 21 15.613 32.443 21.117 1.00 20.00 H new ATOM 0 HH11 ARG A 21 12.054 32.175 21.187 1.00 20.00 H new ATOM 0 HH12 ARG A 21 11.920 32.307 19.430 1.00 20.00 H new ATOM 0 HH21 ARG A 21 15.382 32.518 18.869 1.00 20.00 H new ATOM 0 HH22 ARG A 21 13.772 32.497 18.141 1.00 20.00 H new ATOM 298 N LEU A 22 15.516 33.061 28.296 1.00 20.00 N ATOM 299 CA LEU A 22 15.010 33.122 29.670 1.00 20.00 C ATOM 300 C LEU A 22 13.548 33.590 29.690 1.00 20.00 C ATOM 301 O LEU A 22 12.994 34.007 28.669 1.00 20.00 O ATOM 302 CB LEU A 22 15.889 34.081 30.497 1.00 20.00 C ATOM 303 CG LEU A 22 17.348 33.612 30.649 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.220 34.818 30.978 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.469 32.544 31.743 1.00 20.00 C ATOM 0 H LEU A 22 15.931 33.940 27.989 1.00 20.00 H new ATOM 0 HA LEU A 22 15.051 32.124 30.107 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.880 35.064 30.026 1.00 20.00 H new ATOM 0 HB3 LEU A 22 15.450 34.198 31.488 1.00 20.00 H new ATOM 0 HG LEU A 22 17.682 33.162 29.714 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.256 34.498 31.088 1.00 20.00 H new ATOM 0 HD12 LEU A 22 18.149 35.549 30.172 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.879 35.270 31.909 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.509 32.229 31.831 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.134 32.958 32.694 1.00 20.00 H new ATOM 0 HD23 LEU A 22 16.851 31.685 31.483 1.00 20.00 H new ATOM 317 N SER A 23 12.939 33.538 30.885 1.00 20.00 N ATOM 318 CA SER A 23 11.565 33.979 31.144 1.00 20.00 C ATOM 319 C SER A 23 11.490 35.479 31.488 1.00 20.00 C ATOM 320 O SER A 23 10.402 36.055 31.444 1.00 20.00 O ATOM 321 CB SER A 23 10.977 33.119 32.261 1.00 20.00 C ATOM 322 OG SER A 23 9.587 33.348 32.418 1.00 20.00 O ATOM 0 H SER A 23 13.404 33.178 31.718 1.00 20.00 H new ATOM 0 HA SER A 23 10.977 33.851 30.235 1.00 20.00 H new ATOM 0 HB2 SER A 23 11.150 32.066 32.040 1.00 20.00 H new ATOM 0 HB3 SER A 23 11.490 33.337 33.198 1.00 20.00 H new ATOM 0 HG SER A 23 9.356 34.226 32.049 1.00 20.00 H new ATOM 328 N TYR A 24 12.627 36.117 31.809 1.00 20.00 N ATOM 329 CA TYR A 24 12.731 37.525 32.180 1.00 20.00 C ATOM 330 C TYR A 24 12.321 38.468 31.036 1.00 20.00 C ATOM 331 O TYR A 24 12.221 38.059 29.876 1.00 20.00 O ATOM 332 CB TYR A 24 14.173 37.811 32.617 1.00 20.00 C ATOM 333 CG TYR A 24 14.699 36.989 33.781 1.00 20.00 C ATOM 334 CD1 TYR A 24 16.006 36.471 33.712 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.914 36.748 34.924 1.00 20.00 C ATOM 336 CE1 TYR A 24 16.521 35.690 34.759 1.00 20.00 C ATOM 337 CE2 TYR A 24 14.433 35.998 35.994 1.00 20.00 C ATOM 338 CZ TYR A 24 15.739 35.468 35.919 1.00 20.00 C ATOM 339 OH TYR A 24 16.237 34.736 36.955 1.00 20.00 O ATOM 0 H TYR A 24 13.530 35.642 31.815 1.00 20.00 H new ATOM 0 HA TYR A 24 12.038 37.715 33.000 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.828 37.650 31.761 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.247 38.866 32.882 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.618 36.676 32.846 1.00 20.00 H new ATOM 0 HD2 TYR A 24 12.909 37.141 34.979 1.00 20.00 H new ATOM 0 HE1 TYR A 24 17.509 35.261 34.680 1.00 20.00 H new ATOM 0 HE2 TYR A 24 13.831 35.827 36.875 1.00 20.00 H new ATOM 0 HH TYR A 24 15.569 34.684 37.670 1.00 20.00 H new ATOM 349 N GLY A 25 12.096 39.743 31.384 1.00 20.00 N ATOM 350 CA GLY A 25 11.541 40.767 30.508 1.00 20.00 C ATOM 351 C GLY A 25 12.307 42.092 30.562 1.00 20.00 C ATOM 352 O GLY A 25 13.423 42.174 31.082 1.00 20.00 O ATOM 0 H GLY A 25 12.305 40.095 32.318 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.541 40.397 29.483 1.00 20.00 H new ATOM 0 HA3 GLY A 25 10.501 40.945 30.782 1.00 20.00 H new ATOM 356 N GLY A 26 11.693 43.117 29.958 1.00 20.00 N ATOM 357 CA GLY A 26 12.246 44.449 29.747 1.00 20.00 C ATOM 358 C GLY A 26 12.978 44.600 28.408 1.00 20.00 C ATOM 359 O GLY A 26 13.290 45.724 28.019 1.00 20.00 O ATOM 0 H GLY A 26 10.747 43.029 29.586 1.00 20.00 H new ATOM 0 HA2 GLY A 26 11.440 45.181 29.796 1.00 20.00 H new ATOM 0 HA3 GLY A 26 12.936 44.680 30.558 1.00 20.00 H new ATOM 363 N CYS A 27 13.235 43.489 27.698 1.00 20.00 N ATOM 364 CA CYS A 27 13.825 43.476 26.362 1.00 20.00 C ATOM 365 C CYS A 27 12.880 44.085 25.317 1.00 20.00 C ATOM 366 O CYS A 27 11.700 44.318 25.587 1.00 20.00 O ATOM 367 CB CYS A 27 14.157 42.030 25.967 1.00 20.00 C ATOM 368 SG CYS A 27 15.347 41.200 27.047 1.00 20.00 S ATOM 0 H CYS A 27 13.031 42.555 28.052 1.00 20.00 H new ATOM 0 HA CYS A 27 14.731 44.081 26.388 1.00 20.00 H new ATOM 0 HB2 CYS A 27 13.234 41.451 25.955 1.00 20.00 H new ATOM 0 HB3 CYS A 27 14.548 42.027 24.950 1.00 20.00 H new ATOM 373 N SER A 28 13.404 44.261 24.096 1.00 20.00 N ATOM 374 CA SER A 28 12.678 44.687 22.900 1.00 20.00 C ATOM 375 C SER A 28 12.444 43.554 21.888 1.00 20.00 C ATOM 376 O SER A 28 11.724 43.754 20.910 1.00 20.00 O ATOM 377 CB SER A 28 13.342 45.920 22.292 1.00 20.00 C ATOM 378 OG SER A 28 14.580 45.619 21.644 1.00 20.00 O ATOM 0 H SER A 28 14.394 44.101 23.911 1.00 20.00 H new ATOM 0 HA SER A 28 11.672 44.972 23.208 1.00 20.00 H new ATOM 0 HB2 SER A 28 12.662 46.376 21.572 1.00 20.00 H new ATOM 0 HB3 SER A 28 13.517 46.657 23.076 1.00 20.00 H new ATOM 0 HG SER A 28 14.962 46.441 21.271 1.00 20.00 H new ATOM 384 N THR A 29 13.020 42.370 22.151 1.00 20.00 N ATOM 385 CA THR A 29 12.941 41.170 21.326 1.00 20.00 C ATOM 386 C THR A 29 12.769 39.929 22.218 1.00 20.00 C ATOM 387 O THR A 29 11.675 39.366 22.263 1.00 20.00 O ATOM 388 CB THR A 29 14.159 41.060 20.393 1.00 20.00 C ATOM 389 OG1 THR A 29 15.381 41.186 21.091 1.00 20.00 O ATOM 390 CG2 THR A 29 14.133 42.117 19.277 1.00 20.00 C ATOM 0 H THR A 29 13.581 42.224 22.990 1.00 20.00 H new ATOM 0 HA THR A 29 12.064 41.236 20.682 1.00 20.00 H new ATOM 0 HB THR A 29 14.093 40.065 19.953 1.00 20.00 H new ATOM 0 HG1 THR A 29 15.785 40.300 21.206 1.00 20.00 H new ATOM 0 HG21 THR A 29 15.013 42.000 18.644 1.00 20.00 H new ATOM 0 HG22 THR A 29 13.233 41.989 18.675 1.00 20.00 H new ATOM 0 HG23 THR A 29 14.135 43.113 19.719 1.00 20.00 H new ATOM 398 N VAL A 30 13.832 39.518 22.926 1.00 20.00 N ATOM 399 CA VAL A 30 13.871 38.365 23.830 1.00 20.00 C ATOM 400 C VAL A 30 15.115 38.474 24.727 1.00 20.00 C ATOM 401 O VAL A 30 16.105 39.099 24.344 1.00 20.00 O ATOM 402 CB VAL A 30 13.850 37.051 22.994 1.00 20.00 C ATOM 403 CG1 VAL A 30 15.139 36.794 22.184 1.00 20.00 C ATOM 404 CG2 VAL A 30 13.532 35.818 23.847 1.00 20.00 C ATOM 0 H VAL A 30 14.727 40.005 22.880 1.00 20.00 H new ATOM 0 HA VAL A 30 12.995 38.349 24.479 1.00 20.00 H new ATOM 0 HB VAL A 30 13.044 37.211 22.278 1.00 20.00 H new ATOM 0 HG11 VAL A 30 15.041 35.860 21.631 1.00 20.00 H new ATOM 0 HG12 VAL A 30 15.299 37.615 21.485 1.00 20.00 H new ATOM 0 HG13 VAL A 30 15.988 36.726 22.864 1.00 20.00 H new ATOM 0 HG21 VAL A 30 13.530 34.929 23.216 1.00 20.00 H new ATOM 0 HG22 VAL A 30 14.288 35.709 24.625 1.00 20.00 H new ATOM 0 HG23 VAL A 30 12.552 35.938 24.308 1.00 20.00 H new ATOM 414 N CYS A 31 15.078 37.845 25.911 1.00 20.00 N ATOM 415 CA CYS A 31 16.240 37.700 26.798 1.00 20.00 C ATOM 416 C CYS A 31 17.191 36.616 26.263 1.00 20.00 C ATOM 417 O CYS A 31 16.769 35.741 25.508 1.00 20.00 O ATOM 418 CB CYS A 31 15.758 37.310 28.201 1.00 20.00 C ATOM 419 SG CYS A 31 16.740 37.907 29.601 1.00 20.00 S ATOM 0 H CYS A 31 14.230 37.418 26.283 1.00 20.00 H new ATOM 0 HA CYS A 31 16.777 38.648 26.839 1.00 20.00 H new ATOM 0 HB2 CYS A 31 14.738 37.674 28.323 1.00 20.00 H new ATOM 0 HB3 CYS A 31 15.717 36.222 28.255 1.00 20.00 H new ATOM 424 N CYS A 32 18.459 36.635 26.696 1.00 20.00 N ATOM 425 CA CYS A 32 19.438 35.618 26.329 1.00 20.00 C ATOM 426 C CYS A 32 20.488 35.448 27.434 1.00 20.00 C ATOM 427 O CYS A 32 21.208 36.398 27.741 1.00 20.00 O ATOM 428 CB CYS A 32 20.088 35.990 24.987 1.00 20.00 C ATOM 429 SG CYS A 32 20.488 34.546 23.975 1.00 20.00 S ATOM 0 H CYS A 32 18.829 37.359 27.311 1.00 20.00 H new ATOM 0 HA CYS A 32 18.933 34.659 26.215 1.00 20.00 H new ATOM 0 HB2 CYS A 32 19.414 36.642 24.431 1.00 20.00 H new ATOM 0 HB3 CYS A 32 20.998 36.559 25.175 1.00 20.00 H new ATOM 434 N ASP A 33 20.562 34.242 28.024 1.00 20.00 N ATOM 435 CA ASP A 33 21.520 33.881 29.068 1.00 20.00 C ATOM 436 C ASP A 33 22.931 33.751 28.477 1.00 20.00 C ATOM 437 O ASP A 33 23.316 32.689 27.981 1.00 20.00 O ATOM 438 CB ASP A 33 21.088 32.586 29.778 1.00 20.00 C ATOM 439 CG ASP A 33 21.817 32.375 31.114 1.00 20.00 C ATOM 440 OD1 ASP A 33 21.136 31.957 32.075 1.00 20.00 O ATOM 441 OD2 ASP A 33 23.045 32.609 31.177 1.00 20.00 O ATOM 0 H ASP A 33 19.937 33.475 27.776 1.00 20.00 H new ATOM 0 HA ASP A 33 21.540 34.676 29.814 1.00 20.00 H new ATOM 0 HB2 ASP A 33 20.013 32.614 29.955 1.00 20.00 H new ATOM 0 HB3 ASP A 33 21.281 31.735 29.124 1.00 20.00 H new ATOM 446 N LEU A 34 23.699 34.846 28.541 1.00 20.00 N ATOM 447 CA LEU A 34 25.048 34.944 27.985 1.00 20.00 C ATOM 448 C LEU A 34 26.071 34.083 28.743 1.00 20.00 C ATOM 449 O LEU A 34 27.107 33.736 28.175 1.00 20.00 O ATOM 450 CB LEU A 34 25.506 36.415 27.991 1.00 20.00 C ATOM 451 CG LEU A 34 24.524 37.418 27.349 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.138 38.823 27.387 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.169 37.053 25.899 1.00 20.00 C ATOM 0 H LEU A 34 23.389 35.707 28.992 1.00 20.00 H new ATOM 0 HA LEU A 34 25.001 34.563 26.965 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.685 36.718 29.023 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.460 36.483 27.469 1.00 20.00 H new ATOM 0 HG LEU A 34 23.600 37.385 27.926 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.447 39.534 26.934 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.328 39.109 28.421 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.076 38.825 26.832 1.00 20.00 H new ATOM 0 HD21 LEU A 34 23.476 37.792 25.497 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.076 37.040 25.295 1.00 20.00 H new ATOM 0 HD23 LEU A 34 23.703 36.068 25.875 1.00 20.00 H new ATOM 465 N SER A 35 25.788 33.736 30.009 1.00 20.00 N ATOM 466 CA SER A 35 26.699 33.021 30.900 1.00 20.00 C ATOM 467 C SER A 35 26.837 31.531 30.549 1.00 20.00 C ATOM 468 O SER A 35 27.793 30.902 30.994 1.00 20.00 O ATOM 469 CB SER A 35 26.226 33.208 32.347 1.00 20.00 C ATOM 470 OG SER A 35 27.247 32.845 33.254 1.00 20.00 O ATOM 0 H SER A 35 24.893 33.954 30.447 1.00 20.00 H new ATOM 0 HA SER A 35 27.695 33.445 30.775 1.00 20.00 H new ATOM 0 HB2 SER A 35 25.939 34.247 32.510 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.339 32.600 32.527 1.00 20.00 H new ATOM 0 HG SER A 35 27.757 32.092 32.889 1.00 20.00 H new ATOM 476 N LYS A 36 25.927 30.980 29.732 1.00 20.00 N ATOM 477 CA LYS A 36 25.950 29.604 29.228 1.00 20.00 C ATOM 478 C LYS A 36 25.783 29.514 27.706 1.00 20.00 C ATOM 479 O LYS A 36 25.638 28.418 27.165 1.00 20.00 O ATOM 480 CB LYS A 36 24.924 28.744 29.996 1.00 20.00 C ATOM 481 CG LYS A 36 23.476 29.246 29.853 1.00 20.00 C ATOM 482 CD LYS A 36 22.443 28.263 30.423 1.00 20.00 C ATOM 483 CE LYS A 36 22.561 28.014 31.931 1.00 20.00 C ATOM 484 NZ LYS A 36 22.236 29.217 32.723 1.00 20.00 N ATOM 0 H LYS A 36 25.122 31.506 29.392 1.00 20.00 H new ATOM 0 HA LYS A 36 26.943 29.198 29.418 1.00 20.00 H new ATOM 0 HB2 LYS A 36 24.981 27.716 29.637 1.00 20.00 H new ATOM 0 HB3 LYS A 36 25.193 28.728 31.052 1.00 20.00 H new ATOM 0 HG2 LYS A 36 23.377 30.205 30.362 1.00 20.00 H new ATOM 0 HG3 LYS A 36 23.260 29.421 28.799 1.00 20.00 H new ATOM 0 HD2 LYS A 36 21.444 28.642 30.208 1.00 20.00 H new ATOM 0 HD3 LYS A 36 22.542 27.311 29.902 1.00 20.00 H new ATOM 0 HE2 LYS A 36 21.893 27.202 32.217 1.00 20.00 H new ATOM 0 HE3 LYS A 36 23.575 27.690 32.166 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 21.561 28.967 33.473 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 23.105 29.596 33.151 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 21.813 29.937 32.103 1.00 20.00 H new ATOM 498 N LEU A 37 25.825 30.654 27.013 1.00 20.00 N ATOM 499 CA LEU A 37 25.818 30.743 25.561 1.00 20.00 C ATOM 500 C LEU A 37 27.206 30.380 25.015 1.00 20.00 C ATOM 501 O LEU A 37 27.314 29.475 24.194 1.00 20.00 O ATOM 502 CB LEU A 37 25.367 32.160 25.137 1.00 20.00 C ATOM 503 CG LEU A 37 24.589 32.222 23.806 1.00 20.00 C ATOM 504 CD1 LEU A 37 24.060 33.645 23.589 1.00 20.00 C ATOM 505 CD2 LEU A 37 25.437 31.801 22.601 1.00 20.00 C ATOM 0 H LEU A 37 25.866 31.567 27.467 1.00 20.00 H new ATOM 0 HA LEU A 37 25.109 30.032 25.138 1.00 20.00 H new ATOM 0 HB2 LEU A 37 24.742 32.578 25.926 1.00 20.00 H new ATOM 0 HB3 LEU A 37 26.248 32.797 25.056 1.00 20.00 H new ATOM 0 HG LEU A 37 23.765 31.513 23.881 1.00 20.00 H new ATOM 0 HD11 LEU A 37 23.510 33.689 22.649 1.00 20.00 H new ATOM 0 HD12 LEU A 37 23.397 33.916 24.410 1.00 20.00 H new ATOM 0 HD13 LEU A 37 24.897 34.343 23.553 1.00 20.00 H new ATOM 0 HD21 LEU A 37 24.837 31.865 21.693 1.00 20.00 H new ATOM 0 HD22 LEU A 37 26.299 32.463 22.513 1.00 20.00 H new ATOM 0 HD23 LEU A 37 25.780 30.775 22.738 1.00 20.00 H new ATOM 517 N THR A 38 28.257 31.055 25.501 1.00 20.00 N ATOM 518 CA THR A 38 29.651 30.905 25.077 1.00 20.00 C ATOM 519 C THR A 38 30.476 30.120 26.111 1.00 20.00 C ATOM 520 O THR A 38 29.971 29.745 27.172 1.00 20.00 O ATOM 521 CB THR A 38 30.261 32.293 24.781 1.00 20.00 C ATOM 522 OG1 THR A 38 30.251 33.109 25.937 1.00 20.00 O ATOM 523 CG2 THR A 38 29.520 33.026 23.649 1.00 20.00 C ATOM 0 H THR A 38 28.150 31.754 26.236 1.00 20.00 H new ATOM 0 HA THR A 38 29.675 30.319 24.158 1.00 20.00 H new ATOM 0 HB THR A 38 31.288 32.113 24.464 1.00 20.00 H new ATOM 0 HG1 THR A 38 30.644 33.982 25.725 1.00 20.00 H new ATOM 0 HG21 THR A 38 29.986 33.997 23.478 1.00 20.00 H new ATOM 0 HG22 THR A 38 29.572 32.433 22.736 1.00 20.00 H new ATOM 0 HG23 THR A 38 28.477 33.169 23.930 1.00 20.00 H new ATOM 531 N GLY A 39 31.749 29.845 25.782 1.00 20.00 N ATOM 532 CA GLY A 39 32.660 29.028 26.584 1.00 20.00 C ATOM 533 C GLY A 39 34.117 29.295 26.206 1.00 20.00 C ATOM 534 O GLY A 39 34.559 30.440 26.233 1.00 20.00 O ATOM 0 H GLY A 39 32.180 30.197 24.927 1.00 20.00 H new ATOM 0 HA2 GLY A 39 32.510 29.243 27.642 1.00 20.00 H new ATOM 0 HA3 GLY A 39 32.431 27.972 26.438 1.00 20.00 H new ATOM 538 N CYS A 40 34.880 28.237 25.889 1.00 20.00 N ATOM 539 CA CYS A 40 36.292 28.325 25.517 1.00 20.00 C ATOM 540 C CYS A 40 36.461 28.961 24.131 1.00 20.00 C ATOM 541 O CYS A 40 37.031 30.046 24.018 1.00 20.00 O ATOM 542 CB CYS A 40 36.945 26.936 25.552 1.00 20.00 C ATOM 543 SG CYS A 40 38.742 27.006 25.256 1.00 20.00 S ATOM 0 H CYS A 40 34.522 27.282 25.885 1.00 20.00 H new ATOM 0 HA CYS A 40 36.791 28.965 26.245 1.00 20.00 H new ATOM 0 HB2 CYS A 40 36.757 26.473 26.521 1.00 20.00 H new ATOM 0 HB3 CYS A 40 36.480 26.300 24.799 1.00 20.00 H new ATOM 548 N LYS A 41 36.012 28.254 23.083 1.00 20.00 N ATOM 549 CA LYS A 41 36.384 28.496 21.696 1.00 20.00 C ATOM 550 C LYS A 41 35.171 28.508 20.753 1.00 20.00 C ATOM 551 O LYS A 41 35.047 29.437 19.959 1.00 20.00 O ATOM 552 CB LYS A 41 37.408 27.421 21.303 1.00 20.00 C ATOM 553 CG LYS A 41 38.087 27.716 19.961 1.00 20.00 C ATOM 554 CD LYS A 41 38.967 26.533 19.509 1.00 20.00 C ATOM 555 CE LYS A 41 39.747 26.842 18.225 1.00 20.00 C ATOM 556 NZ LYS A 41 40.916 27.704 18.483 1.00 20.00 N ATOM 0 H LYS A 41 35.361 27.476 23.189 1.00 20.00 H new ATOM 0 HA LYS A 41 36.822 29.490 21.600 1.00 20.00 H new ATOM 0 HB2 LYS A 41 38.167 27.346 22.081 1.00 20.00 H new ATOM 0 HB3 LYS A 41 36.910 26.453 21.249 1.00 20.00 H new ATOM 0 HG2 LYS A 41 37.329 27.919 19.204 1.00 20.00 H new ATOM 0 HG3 LYS A 41 38.698 28.614 20.049 1.00 20.00 H new ATOM 0 HD2 LYS A 41 39.668 26.280 20.305 1.00 20.00 H new ATOM 0 HD3 LYS A 41 38.339 25.657 19.347 1.00 20.00 H new ATOM 0 HE2 LYS A 41 40.078 25.909 17.768 1.00 20.00 H new ATOM 0 HE3 LYS A 41 39.087 27.331 17.509 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 41.415 27.889 17.589 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 40.599 28.605 18.895 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 41.559 27.227 19.147 1.00 20.00 H new ATOM 570 N GLY A 42 34.294 27.492 20.825 1.00 20.00 N ATOM 571 CA GLY A 42 33.108 27.367 19.977 1.00 20.00 C ATOM 572 C GLY A 42 32.035 26.463 20.581 1.00 20.00 C ATOM 573 O GLY A 42 30.920 26.917 20.837 1.00 20.00 O ATOM 0 H GLY A 42 34.396 26.724 21.488 1.00 20.00 H new ATOM 0 HA2 GLY A 42 32.686 28.357 19.804 1.00 20.00 H new ATOM 0 HA3 GLY A 42 33.403 26.972 19.005 1.00 20.00 H new ATOM 577 N LYS A 43 32.371 25.185 20.795 1.00 20.00 N ATOM 578 CA LYS A 43 31.498 24.165 21.384 1.00 20.00 C ATOM 579 C LYS A 43 31.214 24.444 22.865 1.00 20.00 C ATOM 580 O LYS A 43 30.068 24.335 23.296 1.00 20.00 O ATOM 581 CB LYS A 43 32.157 22.787 21.231 1.00 20.00 C ATOM 582 CG LYS A 43 31.850 22.109 19.885 1.00 20.00 C ATOM 583 CD LYS A 43 30.561 21.264 19.919 1.00 20.00 C ATOM 584 CE LYS A 43 30.760 19.992 20.757 1.00 20.00 C ATOM 585 NZ LYS A 43 29.548 19.160 20.768 1.00 20.00 N ATOM 0 H LYS A 43 33.293 24.821 20.553 1.00 20.00 H new ATOM 0 HA LYS A 43 30.544 24.188 20.857 1.00 20.00 H new ATOM 0 HB2 LYS A 43 33.236 22.895 21.337 1.00 20.00 H new ATOM 0 HB3 LYS A 43 31.820 22.140 22.041 1.00 20.00 H new ATOM 0 HG2 LYS A 43 31.758 22.872 19.112 1.00 20.00 H new ATOM 0 HG3 LYS A 43 32.689 21.472 19.605 1.00 20.00 H new ATOM 0 HD2 LYS A 43 29.745 21.855 20.336 1.00 20.00 H new ATOM 0 HD3 LYS A 43 30.272 20.993 18.903 1.00 20.00 H new ATOM 0 HE2 LYS A 43 31.594 19.417 20.355 1.00 20.00 H new ATOM 0 HE3 LYS A 43 31.024 20.265 21.778 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 29.716 18.309 21.342 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 28.759 19.702 21.174 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 29.311 18.879 19.795 1.00 20.00 H new ATOM 599 N GLY A 44 32.254 24.797 23.630 1.00 20.00 N ATOM 600 CA GLY A 44 32.193 25.092 25.058 1.00 20.00 C ATOM 601 C GLY A 44 33.504 24.781 25.787 1.00 20.00 C ATOM 602 O GLY A 44 33.768 25.373 26.831 1.00 20.00 O ATOM 0 H GLY A 44 33.197 24.887 23.251 1.00 20.00 H new ATOM 0 HA2 GLY A 44 31.947 26.145 25.196 1.00 20.00 H new ATOM 0 HA3 GLY A 44 31.386 24.514 25.509 1.00 20.00 H new ATOM 606 N GLY A 45 34.308 23.855 25.245 1.00 20.00 N ATOM 607 CA GLY A 45 35.489 23.284 25.875 1.00 20.00 C ATOM 608 C GLY A 45 35.179 21.925 26.500 1.00 20.00 C ATOM 609 O GLY A 45 34.037 21.624 26.850 1.00 20.00 O ATOM 0 H GLY A 45 34.138 23.472 24.315 1.00 20.00 H new ATOM 0 HA2 GLY A 45 36.282 23.175 25.135 1.00 20.00 H new ATOM 0 HA3 GLY A 45 35.860 23.964 26.642 1.00 20.00 H new ATOM 613 N GLU A 46 36.232 21.117 26.659 1.00 20.00 N ATOM 614 CA GLU A 46 36.180 19.767 27.214 1.00 20.00 C ATOM 615 C GLU A 46 37.353 19.568 28.170 1.00 20.00 C ATOM 616 O GLU A 46 38.481 19.942 27.847 1.00 20.00 O ATOM 617 CB GLU A 46 36.235 18.762 26.052 1.00 20.00 C ATOM 618 CG GLU A 46 36.167 17.297 26.504 1.00 20.00 C ATOM 619 CD GLU A 46 34.856 16.940 27.200 1.00 20.00 C ATOM 620 OE1 GLU A 46 33.788 17.146 26.580 1.00 20.00 O ATOM 621 OE2 GLU A 46 34.936 16.437 28.342 1.00 20.00 O ATOM 0 H GLU A 46 37.176 21.398 26.394 1.00 20.00 H new ATOM 0 HA GLU A 46 35.257 19.613 27.774 1.00 20.00 H new ATOM 0 HB2 GLU A 46 35.409 18.962 25.370 1.00 20.00 H new ATOM 0 HB3 GLU A 46 37.156 18.918 25.491 1.00 20.00 H new ATOM 0 HG2 GLU A 46 36.298 16.650 25.637 1.00 20.00 H new ATOM 0 HG3 GLU A 46 36.997 17.094 27.181 1.00 20.00 H new ATOM 628 N CYS A 47 37.081 18.962 29.333 1.00 20.00 N ATOM 629 CA CYS A 47 38.102 18.599 30.306 1.00 20.00 C ATOM 630 C CYS A 47 38.740 17.265 29.905 1.00 20.00 C ATOM 631 O CYS A 47 38.205 16.201 30.215 1.00 20.00 O ATOM 632 CB CYS A 47 37.558 18.634 31.743 1.00 20.00 C ATOM 633 SG CYS A 47 36.984 20.285 32.254 1.00 20.00 S ATOM 0 H CYS A 47 36.135 18.711 29.621 1.00 20.00 H new ATOM 0 HA CYS A 47 38.897 19.344 30.300 1.00 20.00 H new ATOM 0 HB2 CYS A 47 36.733 17.927 31.829 1.00 20.00 H new ATOM 0 HB3 CYS A 47 38.337 18.300 32.428 1.00 20.00 H new ATOM 638 N ASN A 48 39.872 17.340 29.187 1.00 20.00 N ATOM 639 CA ASN A 48 40.660 16.202 28.708 1.00 20.00 C ATOM 640 C ASN A 48 42.099 16.269 29.243 1.00 20.00 C ATOM 641 O ASN A 48 42.595 17.359 29.530 1.00 20.00 O ATOM 642 CB ASN A 48 40.645 16.150 27.171 1.00 20.00 C ATOM 643 CG ASN A 48 39.714 15.075 26.618 1.00 20.00 C ATOM 644 OD1 ASN A 48 40.128 14.279 25.784 1.00 20.00 O ATOM 645 ND2 ASN A 48 38.464 15.031 27.069 1.00 20.00 N ATOM 0 H ASN A 48 40.277 18.236 28.915 1.00 20.00 H new ATOM 0 HA ASN A 48 40.207 15.285 29.086 1.00 20.00 H new ATOM 0 HB2 ASN A 48 40.339 17.122 26.783 1.00 20.00 H new ATOM 0 HB3 ASN A 48 41.657 15.967 26.810 1.00 20.00 H new ATOM 0 HD21 ASN A 48 37.821 14.320 26.720 1.00 20.00 H new ATOM 0 HD22 ASN A 48 38.148 15.708 27.764 1.00 20.00 H new ATOM 652 N PRO A 49 42.781 15.112 29.350 1.00 20.00 N ATOM 653 CA PRO A 49 44.069 14.993 30.018 1.00 20.00 C ATOM 654 C PRO A 49 45.184 15.709 29.261 1.00 20.00 C ATOM 655 O PRO A 49 45.105 15.898 28.048 1.00 20.00 O ATOM 656 CB PRO A 49 44.331 13.487 30.114 1.00 20.00 C ATOM 657 CG PRO A 49 43.570 12.918 28.917 1.00 20.00 C ATOM 658 CD PRO A 49 42.351 13.827 28.829 1.00 20.00 C ATOM 0 HA PRO A 49 44.050 15.468 30.999 1.00 20.00 H new ATOM 0 HB2 PRO A 49 45.396 13.260 30.058 1.00 20.00 H new ATOM 0 HB3 PRO A 49 43.966 13.075 31.055 1.00 20.00 H new ATOM 0 HG2 PRO A 49 44.166 12.952 28.005 1.00 20.00 H new ATOM 0 HG3 PRO A 49 43.288 11.877 29.075 1.00 20.00 H new ATOM 0 HD2 PRO A 49 42.004 13.918 27.800 1.00 20.00 H new ATOM 0 HD3 PRO A 49 41.521 13.426 29.411 1.00 20.00 H new ATOM 666 N LEU A 50 46.244 16.075 29.988 1.00 20.00 N ATOM 667 CA LEU A 50 47.394 16.786 29.438 1.00 20.00 C ATOM 668 C LEU A 50 48.198 15.933 28.446 1.00 20.00 C ATOM 669 O LEU A 50 48.927 16.491 27.625 1.00 20.00 O ATOM 670 CB LEU A 50 48.303 17.295 30.567 1.00 20.00 C ATOM 671 CG LEU A 50 47.606 18.247 31.559 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.589 18.635 32.672 1.00 20.00 C ATOM 673 CD2 LEU A 50 47.061 19.521 30.906 1.00 20.00 C ATOM 0 H LEU A 50 46.325 15.882 30.986 1.00 20.00 H new ATOM 0 HA LEU A 50 47.002 17.637 28.881 1.00 20.00 H new ATOM 0 HB2 LEU A 50 48.695 16.439 31.117 1.00 20.00 H new ATOM 0 HB3 LEU A 50 49.157 17.809 30.127 1.00 20.00 H new ATOM 0 HG LEU A 50 46.750 17.704 31.960 1.00 20.00 H new ATOM 0 HD11 LEU A 50 48.097 19.308 33.374 1.00 20.00 H new ATOM 0 HD12 LEU A 50 48.916 17.738 33.198 1.00 20.00 H new ATOM 0 HD13 LEU A 50 49.454 19.135 32.236 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.584 20.143 31.664 1.00 20.00 H new ATOM 0 HD22 LEU A 50 47.881 20.073 30.446 1.00 20.00 H new ATOM 0 HD23 LEU A 50 46.330 19.255 30.143 1.00 20.00 H new ATOM 685 N ASP A 51 48.039 14.600 28.506 1.00 20.00 N ATOM 686 CA ASP A 51 48.692 13.622 27.647 1.00 20.00 C ATOM 687 C ASP A 51 48.189 13.682 26.196 1.00 20.00 C ATOM 688 O ASP A 51 48.936 13.307 25.288 1.00 20.00 O ATOM 689 CB ASP A 51 48.429 12.212 28.198 1.00 20.00 C ATOM 690 CG ASP A 51 48.839 12.066 29.662 1.00 20.00 C ATOM 691 OD1 ASP A 51 50.079 12.001 29.899 1.00 20.00 O ATOM 692 OD2 ASP A 51 47.940 12.021 30.511 1.00 20.00 O ATOM 0 H ASP A 51 47.421 14.164 29.190 1.00 20.00 H new ATOM 0 HA ASP A 51 49.757 13.855 27.642 1.00 20.00 H new ATOM 0 HB2 ASP A 51 47.369 11.978 28.097 1.00 20.00 H new ATOM 0 HB3 ASP A 51 48.975 11.484 27.598 1.00 20.00 H new ATOM 697 N ARG A 52 46.942 14.133 25.982 1.00 20.00 N ATOM 698 CA ARG A 52 46.324 14.187 24.660 1.00 20.00 C ATOM 699 C ARG A 52 46.884 15.373 23.868 1.00 20.00 C ATOM 700 O ARG A 52 47.003 16.476 24.405 1.00 20.00 O ATOM 701 CB ARG A 52 44.789 14.247 24.800 1.00 20.00 C ATOM 702 CG ARG A 52 44.115 13.316 23.774 1.00 20.00 C ATOM 703 CD ARG A 52 42.614 13.165 24.040 1.00 20.00 C ATOM 704 NE ARG A 52 42.053 12.051 23.263 1.00 20.00 N ATOM 705 CZ ARG A 52 40.968 11.329 23.585 1.00 20.00 C ATOM 706 NH1 ARG A 52 40.208 11.620 24.643 1.00 20.00 N ATOM 707 NH2 ARG A 52 40.627 10.280 22.838 1.00 20.00 N ATOM 0 H ARG A 52 46.336 14.471 26.730 1.00 20.00 H new ATOM 0 HA ARG A 52 46.565 13.282 24.101 1.00 20.00 H new ATOM 0 HB2 ARG A 52 44.499 13.956 25.809 1.00 20.00 H new ATOM 0 HB3 ARG A 52 44.444 15.270 24.652 1.00 20.00 H new ATOM 0 HG2 ARG A 52 44.268 13.711 22.770 1.00 20.00 H new ATOM 0 HG3 ARG A 52 44.590 12.335 23.806 1.00 20.00 H new ATOM 0 HD2 ARG A 52 42.444 12.994 25.103 1.00 20.00 H new ATOM 0 HD3 ARG A 52 42.100 14.090 23.780 1.00 20.00 H new ATOM 0 HE ARG A 52 42.533 11.803 22.398 1.00 20.00 H new ATOM 0 HH11 ARG A 52 40.445 12.414 25.238 1.00 20.00 H new ATOM 0 HH12 ARG A 52 39.391 11.048 24.857 1.00 20.00 H new ATOM 0 HH21 ARG A 52 41.189 10.028 22.025 1.00 20.00 H new ATOM 0 HH22 ARG A 52 39.803 9.729 23.079 1.00 20.00 H new ATOM 721 N GLN A 53 47.235 15.127 22.598 1.00 20.00 N ATOM 722 CA GLN A 53 47.781 16.121 21.682 1.00 20.00 C ATOM 723 C GLN A 53 46.714 17.159 21.334 1.00 20.00 C ATOM 724 O GLN A 53 45.835 16.909 20.510 1.00 20.00 O ATOM 725 CB GLN A 53 48.329 15.468 20.406 1.00 20.00 C ATOM 726 CG GLN A 53 49.582 14.613 20.656 1.00 20.00 C ATOM 727 CD GLN A 53 50.112 13.968 19.371 1.00 20.00 C ATOM 728 OE1 GLN A 53 50.009 14.536 18.283 1.00 20.00 O ATOM 729 NE2 GLN A 53 50.676 12.765 19.487 1.00 20.00 N ATOM 0 H GLN A 53 47.142 14.204 22.174 1.00 20.00 H new ATOM 0 HA GLN A 53 48.612 16.619 22.182 1.00 20.00 H new ATOM 0 HB2 GLN A 53 47.553 14.844 19.963 1.00 20.00 H new ATOM 0 HB3 GLN A 53 48.566 16.246 19.680 1.00 20.00 H new ATOM 0 HG2 GLN A 53 50.362 15.235 21.096 1.00 20.00 H new ATOM 0 HG3 GLN A 53 49.349 13.834 21.381 1.00 20.00 H new ATOM 0 HE21 GLN A 53 50.746 12.321 20.403 1.00 20.00 H new ATOM 0 HE22 GLN A 53 51.037 12.289 18.660 1.00 20.00 H new ATOM 738 N CYS A 54 46.772 18.311 22.009 1.00 20.00 N ATOM 739 CA CYS A 54 45.821 19.411 21.867 1.00 20.00 C ATOM 740 C CYS A 54 46.339 20.693 22.539 1.00 20.00 C ATOM 741 O CYS A 54 47.361 20.675 23.232 1.00 20.00 O ATOM 742 CB CYS A 54 44.472 18.984 22.469 1.00 20.00 C ATOM 743 SG CYS A 54 43.050 19.378 21.424 1.00 20.00 S ATOM 0 H CYS A 54 47.506 18.507 22.690 1.00 20.00 H new ATOM 0 HA CYS A 54 45.695 19.636 20.808 1.00 20.00 H new ATOM 0 HB2 CYS A 54 44.490 17.910 22.652 1.00 20.00 H new ATOM 0 HB3 CYS A 54 44.346 19.470 23.436 1.00 20.00 H new ATOM 748 N LYS A 55 45.599 21.795 22.345 1.00 20.00 N ATOM 749 CA LYS A 55 45.887 23.101 22.935 1.00 20.00 C ATOM 750 C LYS A 55 45.681 23.087 24.461 1.00 20.00 C ATOM 751 O LYS A 55 45.096 22.158 25.011 1.00 20.00 O ATOM 752 CB LYS A 55 45.023 24.181 22.258 1.00 20.00 C ATOM 753 CG LYS A 55 45.774 25.503 22.023 1.00 20.00 C ATOM 754 CD LYS A 55 46.802 25.398 20.885 1.00 20.00 C ATOM 755 CE LYS A 55 47.405 26.757 20.516 1.00 20.00 C ATOM 756 NZ LYS A 55 48.288 27.287 21.572 1.00 20.00 N ATOM 0 H LYS A 55 44.765 21.798 21.758 1.00 20.00 H new ATOM 0 HA LYS A 55 46.937 23.338 22.761 1.00 20.00 H new ATOM 0 HB2 LYS A 55 44.662 23.801 21.302 1.00 20.00 H new ATOM 0 HB3 LYS A 55 44.146 24.374 22.875 1.00 20.00 H new ATOM 0 HG2 LYS A 55 45.056 26.289 21.789 1.00 20.00 H new ATOM 0 HG3 LYS A 55 46.281 25.798 22.942 1.00 20.00 H new ATOM 0 HD2 LYS A 55 47.600 24.718 21.182 1.00 20.00 H new ATOM 0 HD3 LYS A 55 46.324 24.965 20.006 1.00 20.00 H new ATOM 0 HE2 LYS A 55 47.970 26.661 19.589 1.00 20.00 H new ATOM 0 HE3 LYS A 55 46.601 27.469 20.327 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 48.671 28.207 21.275 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 47.745 27.405 22.451 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 49.071 26.623 21.735 1.00 20.00 H new ATOM 770 N GLU A 56 46.167 24.133 25.143 1.00 20.00 N ATOM 771 CA GLU A 56 46.155 24.297 26.594 1.00 20.00 C ATOM 772 C GLU A 56 45.901 25.768 26.939 1.00 20.00 C ATOM 773 O GLU A 56 46.464 26.655 26.294 1.00 20.00 O ATOM 774 CB GLU A 56 47.510 23.795 27.126 1.00 20.00 C ATOM 775 CG GLU A 56 47.610 23.740 28.656 1.00 20.00 C ATOM 776 CD GLU A 56 48.979 23.239 29.129 1.00 20.00 C ATOM 777 OE1 GLU A 56 49.999 23.808 28.664 1.00 20.00 O ATOM 778 OE2 GLU A 56 49.008 22.280 29.921 1.00 20.00 O ATOM 0 H GLU A 56 46.600 24.925 24.669 1.00 20.00 H new ATOM 0 HA GLU A 56 45.357 23.720 27.061 1.00 20.00 H new ATOM 0 HB2 GLU A 56 47.697 22.798 26.726 1.00 20.00 H new ATOM 0 HB3 GLU A 56 48.299 24.444 26.746 1.00 20.00 H new ATOM 0 HG2 GLU A 56 47.427 24.733 29.066 1.00 20.00 H new ATOM 0 HG3 GLU A 56 46.831 23.085 29.046 1.00 20.00 H new ATOM 785 N LEU A 57 45.089 25.994 27.983 1.00 20.00 N ATOM 786 CA LEU A 57 44.695 27.311 28.478 1.00 20.00 C ATOM 787 C LEU A 57 44.512 27.303 30.000 1.00 20.00 C ATOM 788 O LEU A 57 43.391 27.095 30.485 1.00 20.00 O ATOM 789 CB LEU A 57 43.385 27.761 27.794 1.00 20.00 C ATOM 790 CG LEU A 57 43.449 28.081 26.289 1.00 20.00 C ATOM 791 CD1 LEU A 57 42.052 28.354 25.737 1.00 20.00 C ATOM 792 CD2 LEU A 57 44.309 29.307 26.004 1.00 20.00 C ATOM 0 H LEU A 57 44.676 25.233 28.522 1.00 20.00 H new ATOM 0 HA LEU A 57 45.492 28.014 28.237 1.00 20.00 H new ATOM 0 HB2 LEU A 57 42.641 26.978 27.941 1.00 20.00 H new ATOM 0 HB3 LEU A 57 43.021 28.648 28.312 1.00 20.00 H new ATOM 0 HG LEU A 57 43.890 27.209 25.807 1.00 20.00 H new ATOM 0 HD11 LEU A 57 42.119 28.578 24.672 1.00 20.00 H new ATOM 0 HD12 LEU A 57 41.424 27.475 25.884 1.00 20.00 H new ATOM 0 HD13 LEU A 57 41.614 29.204 26.260 1.00 20.00 H new ATOM 0 HD21 LEU A 57 44.327 29.497 24.931 1.00 20.00 H new ATOM 0 HD22 LEU A 57 43.891 30.172 26.519 1.00 20.00 H new ATOM 0 HD23 LEU A 57 45.324 29.129 26.358 1.00 20.00 H new ATOM 804 N GLN A 58 45.613 27.548 30.728 1.00 20.00 N ATOM 805 CA GLN A 58 45.555 27.695 32.185 1.00 20.00 C ATOM 806 C GLN A 58 44.815 28.968 32.653 1.00 20.00 C ATOM 807 O GLN A 58 44.531 29.106 33.844 1.00 20.00 O ATOM 808 CB GLN A 58 46.961 27.615 32.799 1.00 20.00 C ATOM 809 CG GLN A 58 47.946 28.734 32.409 1.00 20.00 C ATOM 810 CD GLN A 58 48.529 28.609 30.997 1.00 20.00 C ATOM 811 OE1 GLN A 58 48.706 27.511 30.475 1.00 20.00 O ATOM 812 NE2 GLN A 58 48.832 29.741 30.364 1.00 20.00 N ATOM 0 H GLN A 58 46.547 27.647 30.331 1.00 20.00 H new ATOM 0 HA GLN A 58 44.961 26.857 32.549 1.00 20.00 H new ATOM 0 HB2 GLN A 58 46.860 27.613 33.884 1.00 20.00 H new ATOM 0 HB3 GLN A 58 47.402 26.659 32.518 1.00 20.00 H new ATOM 0 HG2 GLN A 58 47.437 29.694 32.494 1.00 20.00 H new ATOM 0 HG3 GLN A 58 48.766 28.744 33.127 1.00 20.00 H new ATOM 0 HE21 GLN A 58 48.675 30.639 30.821 1.00 20.00 H new ATOM 0 HE22 GLN A 58 49.221 29.710 29.422 1.00 20.00 H new ATOM 821 N ALA A 59 44.479 29.893 31.744 1.00 20.00 N ATOM 822 CA ALA A 59 43.740 31.126 32.018 1.00 20.00 C ATOM 823 C ALA A 59 42.223 30.997 31.790 1.00 20.00 C ATOM 824 O ALA A 59 41.499 31.931 32.126 1.00 20.00 O ATOM 825 CB ALA A 59 44.311 32.255 31.152 1.00 20.00 C ATOM 0 H ALA A 59 44.726 29.796 30.759 1.00 20.00 H new ATOM 0 HA ALA A 59 43.867 31.350 33.077 1.00 20.00 H new ATOM 0 HB1 ALA A 59 43.765 33.177 31.351 1.00 20.00 H new ATOM 0 HB2 ALA A 59 45.365 32.399 31.390 1.00 20.00 H new ATOM 0 HB3 ALA A 59 44.209 31.993 30.099 1.00 20.00 H new ATOM 831 N GLU A 60 41.723 29.882 31.234 1.00 20.00 N ATOM 832 CA GLU A 60 40.320 29.689 30.857 1.00 20.00 C ATOM 833 C GLU A 60 39.839 28.291 31.233 1.00 20.00 C ATOM 834 O GLU A 60 38.859 28.148 31.959 1.00 20.00 O ATOM 835 CB GLU A 60 40.128 29.914 29.346 1.00 20.00 C ATOM 836 CG GLU A 60 40.429 31.343 28.881 1.00 20.00 C ATOM 837 CD GLU A 60 40.183 31.517 27.378 1.00 20.00 C ATOM 838 OE1 GLU A 60 39.024 31.319 26.948 1.00 20.00 O ATOM 839 OE2 GLU A 60 41.151 31.881 26.671 1.00 20.00 O ATOM 0 H GLU A 60 42.303 29.068 31.030 1.00 20.00 H new ATOM 0 HA GLU A 60 39.727 30.421 31.405 1.00 20.00 H new ATOM 0 HB2 GLU A 60 40.773 29.223 28.802 1.00 20.00 H new ATOM 0 HB3 GLU A 60 39.100 29.666 29.081 1.00 20.00 H new ATOM 0 HG2 GLU A 60 39.805 32.044 29.435 1.00 20.00 H new ATOM 0 HG3 GLU A 60 41.466 31.589 29.110 1.00 20.00 H new ATOM 846 N SER A 61 40.528 27.263 30.729 1.00 20.00 N ATOM 847 CA SER A 61 40.190 25.859 30.906 1.00 20.00 C ATOM 848 C SER A 61 40.322 25.383 32.364 1.00 20.00 C ATOM 849 O SER A 61 39.713 24.378 32.729 1.00 20.00 O ATOM 850 CB SER A 61 41.083 25.021 30.002 1.00 20.00 C ATOM 851 OG SER A 61 40.445 23.796 29.802 1.00 20.00 O ATOM 0 H SER A 61 41.368 27.398 30.166 1.00 20.00 H new ATOM 0 HA SER A 61 39.141 25.737 30.637 1.00 20.00 H new ATOM 0 HB2 SER A 61 41.249 25.527 29.051 1.00 20.00 H new ATOM 0 HB3 SER A 61 42.061 24.874 30.459 1.00 20.00 H new ATOM 0 HG SER A 61 41.026 23.070 30.111 1.00 20.00 H new ATOM 857 N ALA A 62 41.096 26.106 33.192 1.00 20.00 N ATOM 858 CA ALA A 62 41.392 25.818 34.591 1.00 20.00 C ATOM 859 C ALA A 62 40.167 25.754 35.512 1.00 20.00 C ATOM 860 O ALA A 62 40.328 25.359 36.664 1.00 20.00 O ATOM 861 CB ALA A 62 42.384 26.872 35.084 1.00 20.00 C ATOM 0 H ALA A 62 41.557 26.959 32.874 1.00 20.00 H new ATOM 0 HA ALA A 62 41.812 24.813 34.634 1.00 20.00 H new ATOM 0 HB1 ALA A 62 42.626 26.683 36.130 1.00 20.00 H new ATOM 0 HB2 ALA A 62 43.294 26.822 34.487 1.00 20.00 H new ATOM 0 HB3 ALA A 62 41.940 27.863 34.987 1.00 20.00 H new ATOM 867 N SER A 63 38.963 26.089 35.029 1.00 20.00 N ATOM 868 CA SER A 63 37.713 25.916 35.761 1.00 20.00 C ATOM 869 C SER A 63 37.489 24.473 36.256 1.00 20.00 C ATOM 870 O SER A 63 36.880 24.300 37.311 1.00 20.00 O ATOM 871 CB SER A 63 36.548 26.382 34.880 1.00 20.00 C ATOM 872 OG SER A 63 35.372 26.562 35.648 1.00 20.00 O ATOM 0 H SER A 63 38.834 26.494 34.102 1.00 20.00 H new ATOM 0 HA SER A 63 37.771 26.528 36.661 1.00 20.00 H new ATOM 0 HB2 SER A 63 36.812 27.318 34.387 1.00 20.00 H new ATOM 0 HB3 SER A 63 36.365 25.649 34.095 1.00 20.00 H new ATOM 0 HG SER A 63 34.643 26.861 35.065 1.00 20.00 H new ATOM 878 N CYS A 64 38.027 23.459 35.556 1.00 20.00 N ATOM 879 CA CYS A 64 38.152 22.088 36.056 1.00 20.00 C ATOM 880 C CYS A 64 39.240 22.045 37.146 1.00 20.00 C ATOM 881 O CYS A 64 38.899 21.997 38.329 1.00 20.00 O ATOM 882 CB CYS A 64 38.403 21.107 34.894 1.00 20.00 C ATOM 883 SG CYS A 64 36.889 20.300 34.295 1.00 20.00 S ATOM 0 H CYS A 64 38.392 23.576 34.611 1.00 20.00 H new ATOM 0 HA CYS A 64 37.219 21.765 36.518 1.00 20.00 H new ATOM 0 HB2 CYS A 64 38.871 21.644 34.069 1.00 20.00 H new ATOM 0 HB3 CYS A 64 39.110 20.343 35.219 1.00 20.00 H new ATOM 888 N GLY A 65 40.530 22.095 36.763 1.00 20.00 N ATOM 889 CA GLY A 65 41.654 22.188 37.693 1.00 20.00 C ATOM 890 C GLY A 65 42.880 21.423 37.204 1.00 20.00 C ATOM 891 O GLY A 65 43.923 22.033 36.976 1.00 20.00 O ATOM 0 H GLY A 65 40.817 22.071 35.784 1.00 20.00 H new ATOM 0 HA2 GLY A 65 41.917 23.236 37.837 1.00 20.00 H new ATOM 0 HA3 GLY A 65 41.351 21.799 38.665 1.00 20.00 H new ATOM 895 N LYS A 66 42.747 20.096 37.061 1.00 20.00 N ATOM 896 CA LYS A 66 43.804 19.191 36.610 1.00 20.00 C ATOM 897 C LYS A 66 43.273 18.256 35.518 1.00 20.00 C ATOM 898 O LYS A 66 42.118 17.828 35.564 1.00 20.00 O ATOM 899 CB LYS A 66 44.382 18.383 37.791 1.00 20.00 C ATOM 900 CG LYS A 66 45.281 19.221 38.719 1.00 20.00 C ATOM 901 CD LYS A 66 44.573 19.742 39.981 1.00 20.00 C ATOM 902 CE LYS A 66 44.298 18.647 41.026 1.00 20.00 C ATOM 903 NZ LYS A 66 45.550 18.115 41.627 1.00 20.00 N ATOM 0 H LYS A 66 41.872 19.612 37.263 1.00 20.00 H new ATOM 0 HA LYS A 66 44.612 19.790 36.190 1.00 20.00 H new ATOM 0 HB2 LYS A 66 43.561 17.965 38.373 1.00 20.00 H new ATOM 0 HB3 LYS A 66 44.957 17.543 37.401 1.00 20.00 H new ATOM 0 HG2 LYS A 66 46.137 18.617 39.020 1.00 20.00 H new ATOM 0 HG3 LYS A 66 45.671 20.070 38.158 1.00 20.00 H new ATOM 0 HD2 LYS A 66 45.184 20.522 40.435 1.00 20.00 H new ATOM 0 HD3 LYS A 66 43.629 20.204 39.694 1.00 20.00 H new ATOM 0 HE2 LYS A 66 43.662 19.051 41.814 1.00 20.00 H new ATOM 0 HE3 LYS A 66 43.747 17.831 40.558 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 45.315 17.508 42.438 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 46.067 17.559 40.917 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 46.145 18.906 41.947 1.00 20.00 H new ATOM 917 N GLY A 67 44.143 17.946 34.545 1.00 20.00 N ATOM 918 CA GLY A 67 43.846 17.102 33.395 1.00 20.00 C ATOM 919 C GLY A 67 42.645 17.591 32.588 1.00 20.00 C ATOM 920 O GLY A 67 41.769 16.780 32.285 1.00 20.00 O ATOM 0 H GLY A 67 45.103 18.291 34.544 1.00 20.00 H new ATOM 0 HA2 GLY A 67 44.721 17.062 32.746 1.00 20.00 H new ATOM 0 HA3 GLY A 67 43.656 16.085 33.738 1.00 20.00 H new ATOM 924 N GLN A 68 42.590 18.901 32.280 1.00 20.00 N ATOM 925 CA GLN A 68 41.396 19.571 31.788 1.00 20.00 C ATOM 926 C GLN A 68 41.488 20.391 30.501 1.00 20.00 C ATOM 927 O GLN A 68 40.498 20.982 30.079 1.00 20.00 O ATOM 928 CB GLN A 68 40.866 20.449 32.921 1.00 20.00 C ATOM 929 CG GLN A 68 41.517 21.848 33.080 1.00 20.00 C ATOM 930 CD GLN A 68 42.999 21.906 33.449 1.00 20.00 C ATOM 931 OE1 GLN A 68 43.579 20.976 33.994 1.00 20.00 O ATOM 932 NE2 GLN A 68 43.635 23.040 33.159 1.00 20.00 N ATOM 0 H GLN A 68 43.393 19.523 32.372 1.00 20.00 H new ATOM 0 HA GLN A 68 40.730 18.760 31.492 1.00 20.00 H new ATOM 0 HB2 GLN A 68 39.795 20.587 32.772 1.00 20.00 H new ATOM 0 HB3 GLN A 68 40.991 19.907 33.858 1.00 20.00 H new ATOM 0 HG2 GLN A 68 41.384 22.388 32.143 1.00 20.00 H new ATOM 0 HG3 GLN A 68 40.960 22.392 33.843 1.00 20.00 H new ATOM 0 HE21 GLN A 68 43.134 23.804 32.705 1.00 20.00 H new ATOM 0 HE22 GLN A 68 44.623 23.145 33.391 1.00 20.00 H new ATOM 941 N LYS A 69 42.676 20.432 29.919 1.00 20.00 N ATOM 942 CA LYS A 69 43.095 21.313 28.824 1.00 20.00 C ATOM 943 C LYS A 69 42.031 21.497 27.727 1.00 20.00 C ATOM 944 O LYS A 69 41.518 20.514 27.192 1.00 20.00 O ATOM 945 CB LYS A 69 44.439 20.862 28.224 1.00 20.00 C ATOM 946 CG LYS A 69 44.507 19.391 27.763 1.00 20.00 C ATOM 947 CD LYS A 69 45.524 19.133 26.641 1.00 20.00 C ATOM 948 CE LYS A 69 46.923 19.665 26.958 1.00 20.00 C ATOM 949 NZ LYS A 69 47.901 19.242 25.943 1.00 20.00 N ATOM 0 H LYS A 69 43.429 19.811 30.214 1.00 20.00 H new ATOM 0 HA LYS A 69 43.227 22.296 29.276 1.00 20.00 H new ATOM 0 HB2 LYS A 69 44.668 21.501 27.371 1.00 20.00 H new ATOM 0 HB3 LYS A 69 45.221 21.027 28.966 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.759 18.764 28.619 1.00 20.00 H new ATOM 0 HG3 LYS A 69 43.519 19.082 27.422 1.00 20.00 H new ATOM 0 HD2 LYS A 69 45.584 18.061 26.454 1.00 20.00 H new ATOM 0 HD3 LYS A 69 45.166 19.597 25.722 1.00 20.00 H new ATOM 0 HE2 LYS A 69 46.897 20.753 27.009 1.00 20.00 H new ATOM 0 HE3 LYS A 69 47.236 19.307 27.939 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 48.864 19.424 26.291 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 47.788 18.226 25.754 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 47.743 19.777 25.065 1.00 20.00 H new ATOM 963 N CYS A 70 41.712 22.763 27.404 1.00 20.00 N ATOM 964 CA CYS A 70 40.724 23.121 26.388 1.00 20.00 C ATOM 965 C CYS A 70 41.154 22.564 25.030 1.00 20.00 C ATOM 966 O CYS A 70 42.150 23.005 24.452 1.00 20.00 O ATOM 967 CB CYS A 70 40.484 24.639 26.300 1.00 20.00 C ATOM 968 SG CYS A 70 39.328 25.074 24.966 1.00 20.00 S ATOM 0 H CYS A 70 42.143 23.572 27.851 1.00 20.00 H new ATOM 0 HA CYS A 70 39.775 22.674 26.684 1.00 20.00 H new ATOM 0 HB2 CYS A 70 40.091 24.999 27.251 1.00 20.00 H new ATOM 0 HB3 CYS A 70 41.434 25.147 26.135 1.00 20.00 H new ATOM 973 N CYS A 71 40.379 21.586 24.553 1.00 20.00 N ATOM 974 CA CYS A 71 40.644 20.831 23.344 1.00 20.00 C ATOM 975 C CYS A 71 39.375 20.828 22.491 1.00 20.00 C ATOM 976 O CYS A 71 38.575 19.892 22.546 1.00 20.00 O ATOM 977 CB CYS A 71 41.128 19.431 23.738 1.00 20.00 C ATOM 978 SG CYS A 71 41.544 18.360 22.336 1.00 20.00 S ATOM 0 H CYS A 71 39.521 21.294 25.021 1.00 20.00 H new ATOM 0 HA CYS A 71 41.434 21.278 22.740 1.00 20.00 H new ATOM 0 HB2 CYS A 71 42.006 19.530 24.377 1.00 20.00 H new ATOM 0 HB3 CYS A 71 40.354 18.946 24.333 1.00 20.00 H new ATOM 983 N VAL A 72 39.197 21.907 21.718 1.00 20.00 N ATOM 984 CA VAL A 72 38.043 22.170 20.864 1.00 20.00 C ATOM 985 C VAL A 72 38.519 22.202 19.411 1.00 20.00 C ATOM 986 O VAL A 72 39.502 22.876 19.108 1.00 20.00 O ATOM 987 CB VAL A 72 37.345 23.483 21.268 1.00 20.00 C ATOM 988 CG1 VAL A 72 36.111 23.741 20.396 1.00 20.00 C ATOM 989 CG2 VAL A 72 36.875 23.445 22.721 1.00 20.00 C ATOM 0 H VAL A 72 39.891 22.654 21.673 1.00 20.00 H new ATOM 0 HA VAL A 72 37.302 21.379 20.981 1.00 20.00 H new ATOM 0 HB VAL A 72 38.082 24.275 21.134 1.00 20.00 H new ATOM 0 HG11 VAL A 72 35.638 24.674 20.702 1.00 20.00 H new ATOM 0 HG12 VAL A 72 36.413 23.813 19.351 1.00 20.00 H new ATOM 0 HG13 VAL A 72 35.404 22.920 20.514 1.00 20.00 H new ATOM 0 HG21 VAL A 72 36.388 24.387 22.970 1.00 20.00 H new ATOM 0 HG22 VAL A 72 36.169 22.625 22.854 1.00 20.00 H new ATOM 0 HG23 VAL A 72 37.733 23.295 23.377 1.00 20.00 H new ATOM 999 N TRP A 73 37.827 21.482 18.527 1.00 20.00 N ATOM 1000 CA TRP A 73 38.197 21.296 17.132 1.00 20.00 C ATOM 1001 C TRP A 73 37.490 22.323 16.245 1.00 20.00 C ATOM 1002 O TRP A 73 36.639 23.086 16.709 1.00 20.00 O ATOM 1003 CB TRP A 73 37.853 19.860 16.712 1.00 20.00 C ATOM 1004 CG TRP A 73 38.195 18.767 17.704 1.00 20.00 C ATOM 1005 CD1 TRP A 73 39.404 18.586 18.279 1.00 20.00 C ATOM 1006 CD2 TRP A 73 37.337 17.764 18.260 1.00 20.00 C ATOM 1007 NE1 TRP A 73 39.322 17.524 19.170 1.00 20.00 N ATOM 1008 CE2 TRP A 73 38.047 16.975 19.188 1.00 20.00 C ATOM 1009 CE3 TRP A 73 35.944 17.394 18.064 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 37.476 15.916 19.904 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 35.373 16.370 18.754 1.00 20.00 C ATOM 1012 CH2 TRP A 73 36.123 15.605 19.700 1.00 20.00 C ATOM 0 H TRP A 73 36.965 20.998 18.776 1.00 20.00 H new ATOM 0 HA TRP A 73 39.269 21.451 17.012 1.00 20.00 H new ATOM 0 HB2 TRP A 73 36.784 19.811 16.506 1.00 20.00 H new ATOM 0 HB3 TRP A 73 38.369 19.645 15.776 1.00 20.00 H new ATOM 0 HD1 TRP A 73 40.289 19.171 18.079 1.00 20.00 H new ATOM 0 HE1 TRP A 73 40.100 17.190 19.739 1.00 20.00 H new ATOM 0 HE3 TRP A 73 35.348 17.946 17.353 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 38.069 15.346 20.604 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 34.334 16.131 18.584 1.00 20.00 H new ATOM 0 HH2 TRP A 73 35.656 14.801 20.249 1.00 20.00 H new ATOM 1023 N LEU A 74 37.839 22.313 14.954 1.00 20.00 N ATOM 1024 CA LEU A 74 37.153 23.110 13.947 1.00 20.00 C ATOM 1025 C LEU A 74 35.815 22.468 13.516 1.00 20.00 C ATOM 1026 O LEU A 74 35.463 21.374 13.974 1.00 20.00 O ATOM 1027 CB LEU A 74 38.096 23.410 12.753 1.00 20.00 C ATOM 1028 CG LEU A 74 38.421 22.226 11.799 1.00 20.00 C ATOM 1029 CD1 LEU A 74 38.935 22.804 10.471 1.00 20.00 C ATOM 1030 CD2 LEU A 74 39.482 21.269 12.365 1.00 20.00 C ATOM 0 H LEU A 74 38.605 21.751 14.584 1.00 20.00 H new ATOM 0 HA LEU A 74 36.887 24.069 14.392 1.00 20.00 H new ATOM 0 HB2 LEU A 74 37.651 24.210 12.162 1.00 20.00 H new ATOM 0 HB3 LEU A 74 39.036 23.793 13.151 1.00 20.00 H new ATOM 0 HG LEU A 74 37.506 21.649 11.667 1.00 20.00 H new ATOM 0 HD11 LEU A 74 39.169 21.989 9.786 1.00 20.00 H new ATOM 0 HD12 LEU A 74 38.167 23.440 10.030 1.00 20.00 H new ATOM 0 HD13 LEU A 74 39.833 23.394 10.654 1.00 20.00 H new ATOM 0 HD21 LEU A 74 39.664 20.465 11.652 1.00 20.00 H new ATOM 0 HD22 LEU A 74 40.409 21.816 12.540 1.00 20.00 H new ATOM 0 HD23 LEU A 74 39.127 20.847 13.305 1.00 20.00 H new ATOM 1042 N HIS A 75 35.095 23.180 12.623 1.00 20.00 N ATOM 1043 CA HIS A 75 33.811 22.735 12.054 1.00 20.00 C ATOM 1044 C HIS A 75 33.976 21.452 11.224 1.00 20.00 C ATOM 1045 O HIS A 75 33.214 20.496 11.485 1.00 20.00 O ATOM 1046 CB HIS A 75 33.222 23.859 11.198 1.00 20.00 C ATOM 1047 CG HIS A 75 31.795 23.625 10.771 1.00 20.00 C ATOM 1048 ND1 HIS A 75 30.695 24.303 11.256 1.00 20.00 N ATOM 1049 CD2 HIS A 75 31.364 22.749 9.814 1.00 20.00 C ATOM 1050 CE1 HIS A 75 29.612 23.830 10.616 1.00 20.00 C ATOM 1051 NE2 HIS A 75 29.997 22.900 9.724 1.00 20.00 N ATOM 1052 OXT HIS A 75 34.895 21.399 10.376 1.00 20.00 O ATOM 0 H HIS A 75 35.395 24.090 12.275 1.00 20.00 H new ATOM 0 HA HIS A 75 33.129 22.504 12.872 1.00 20.00 H new ATOM 0 HB2 HIS A 75 33.274 24.793 11.758 1.00 20.00 H new ATOM 0 HB3 HIS A 75 33.840 23.986 10.309 1.00 20.00 H new ATOM 0 HD2 HIS A 75 31.976 22.070 9.239 1.00 20.00 H new ATOM 0 HE1 HIS A 75 28.594 24.146 10.790 1.00 20.00 H new ATOM 0 HE2 HIS A 75 29.382 22.392 9.088 1.00 20.00 H new TER 1061 HIS A 75